Information card for entry 1543227

Structure parameters

• Chemical name: 5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione
• Formula: C22 H22 N2 O2
• Calculated formula: C22 H22 N2 O2
• SMILES: C(CC)C1c2c(N3N(C(=O)c4c(C3=O)cccc4)C=1CCC)cccc2
• Title of publication: 5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione
• Authors of publication: Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160688
• a: 8.8711 ± 0.0007 Å
• b: 8.6175 ± 0.0006 Å
• c: 23.698 ± 0.002 Å
• α: 90°
• β: 99.672 ± 0.004°
• γ: 90°
• Cell volume: 1785.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes